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- 泉 富士夫
- 物質・材料研究機構 物質研究所
書誌事項
- タイトル別名
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- Development and Applications of the Pioneering Technology of Structure Refinement from Powder Diffraction Data
- Special Article: The 57th CerSJ Awards for Academic Achievements Development and Applications of the Pioneering Technology of Structure Refinement from Powder Diffraction Data
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A couple of Rietveld-analysis programs, RIETAN, for angle-dispersive diffraction and time-of-flight neutron diffraction have been extensively used for structural studies of many compounds. The history of their developments is briefly reviewed. The latest versions, RIETAN-2000 for angle-dispersive diffraction and RIETAN-2001T for the Vega and Sirius diffractometers at KENS have a practical feature of partial profile relaxation. In this technique, primary profile parameters of (nearly) isolated reflections can be individually refined independent of secondary profile parameters. It was combined with split profile functions to improve fits between observed and calculated patterns, particularly in samples exhibiting anisotropic profile broadening and reflections with very large lattice-plane spacings. RIETAN-2000 and our own program for the maximum-entropy method (MEM), PRIMA, were virtually integrated into a structure-refinement system, REMEDY, whereby the pattern calculated from structure factors obtained by MEM is fit to the whole observed pattern. `Observed' structure factors estimated at the end of the whole-pattern fitting are analyzed again by MEM. Whole-pattern fitting and MEM analysis are alternately repeated until R factors in the former no longer decrease. Applications of this technology to three inorganic compounds having highly disordered structures are demonstrated, showing its excellent performance and effectiveness.<br>
収録刊行物
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- Journal of the Ceramic Society of Japan (日本セラミックス協会学術論文誌)
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Journal of the Ceramic Society of Japan (日本セラミックス協会学術論文誌) 111 (1297), 617-623, 2003
公益社団法人 日本セラミックス協会
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詳細情報 詳細情報について
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- CRID
- 1390001205249180928
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- NII論文ID
- 110002288092
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- NII書誌ID
- AN10040326
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- ISSN
- 18821022
- 09145400
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- NDL書誌ID
- 6694008
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- 本文言語コード
- en
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- データソース種別
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- JaLC
- NDL
- Crossref
- CiNii Articles
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- 抄録ライセンスフラグ
- 使用不可